Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000839193 | Bronze | neoechinulin&A |
| CCMSLIB00000845126 | Gold | 1 |
| CCMSLIB00005722104 | Gold | 3 |
| CCMSLIB00005722105 | Gold | 3 |
| CCMSLIB00012130648 | Gold | 4 |
| CCMSLIB00009970445 | Gold | 4 |
COMPOUND NPA020091
PROPERTIES
| NPAID | NPA020091 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Neoechinulin A |
| FORMULA | C19H21N3O2 |
| MOLECULAR WEIGHT (Da) | 323.3960 |
| ACCURATE MASS (Da) | 323.1634 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | arnstelodarni |
| InChIKey | MYRPIYZIAHOECW-SAIXKJTDSA-N |
| InChI | InChI=1S/C19H21N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-11,21H,1H2,2-4H3,(H,20,24)(H,22,23)/b15-10-/t11-/m0/s1 |
| SMILES | C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Marchelli, R; Dossena, A; Pochini, A; Dradi, E The structures of five new didehydropeptides related to neoechinulin, isolated from Aspergillus amstelodami Journal of the Chemical Society, Perkin Transactions 1 1977 0 (7) 713-717. | ||
|---|---|---|---|
| DOI | 10.1039/P19770000713 | PMID | - |
